SCHEMBL6973740

SCHEMBL6973740

CCOC(=O)C1CN(C(C)=O)c2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KMT2A Q03164 10/20 0.53
MEN1 O00255 6/20 0.53
ALDH1A1 P00352 3/20 0.50
SIRT3 Q9NTG7 1/20 0.46
ATM Q13315 1/20 0.46
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6965201 0.86 KMT2A (0.55) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL24377986 0.86 KMT2A (0.55) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL29516078 0.86 KMT2A (0.55) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL12695925 0.86 SIRT3 (0.58) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL925973 0.84 POLB (0.49) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL7820037 0.84 POLB (0.53) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8564035 0.83 P2RX4 (0.49) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8564037 0.83 P2RX4 (0.49) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8564040 0.83 P2RX4 (0.49) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7817475 0.81 SIRT1 (0.50) POLBKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed